1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

C11H19N5O — CID 107062005

IUPAC1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1(C(=O)Cc2nnn(C)n2)CCCNC1
InChIInChI=1S/C11H19N5O/c1-3-11(5-4-6-12-8-11)9(17)7-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3
InChIKeyPLEOCGBJNFWTFP-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.10
Rot. Bonds4

About 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062005) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062005
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1(C(=O)Cc2nnn(C)n2)CCCNC1
InChIInChI=1S/C11H19N5O/c1-3-11(5-4-6-12-8-11)9(17)7-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3
InChIKeyPLEOCGBJNFWTFP-UHFFFAOYSA-N
XLogP0.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-(tert-butylamino)-2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one
CID 178446618
3-[(2-Methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107044552
2-[(2-Methyltetrazol-5-yl)methyl]piperidine-3-carboxamide
CID 107054758
2-(2-Methyltetrazol-5-yl)-1-piperidin-4-ylethanone
CID 107061723
2-(2-Methyltetrazol-5-yl)-1-piperidin-3-ylethanone
CID 107061730
1-(2-Methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(2-Methyltetrazol-5-yl)-4-piperidin-3-ylbutan-2-one
CID 107061925
1-(2-Methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
1-(2-Methyltetrazol-5-yl)-3-piperidin-3-ylpropan-2-one
CID 107061949
1-(4-Methylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061990
1-(4-Ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061997
1-(3-Methylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062015

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062005) is 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is CCC1(C(=O)Cc2nnn(C)n2)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is PLEOCGBJNFWTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-11(5-4-6-12-8-11)9(17)7-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3.
What are the key properties of 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).